N-[(2S)-3-Phenyl-2-Sulfanylpropanoyl]-L-Phenylalanyl-L-Tyrosine

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Properties Simple | Detailed

Formula C27H28N2O5S
IUPAC Name (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-3-phenyl-2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid
Molecular Mass 492.587 g·mol−1
Heat of Formation -727.4 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 592.3 Å 3
Surface Area 440.7 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2-sulfanyl-3-phenylpropanoyl)-phe-tyr
  • (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-2-[[(2s)-2-mercapto-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid
  • (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-2-[[(2s)-2-mercapto-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid
  • (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-3-phenyl-2-[[(2s)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid
  • (2s)-3-(4-hydroxyphenyl)-2-[[(2s)-3-phenyl-2-[[(2s)-3-phenyl-2-sulfanylpropanoyl]amino]propanoyl]amino]propanoic acid
  • ti2
InChIKey GIVBBFGMRNXKPE-HJOGWXRNSA-N
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